CID 63621

Brn 4588636

Structural Information

Molecular Formula
C27H17Cl2N3O
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C27H17Cl2N3O/c28-20-12-15-25(23(29)16-20)32-26(31-24-9-5-4-8-22(24)27(32)33)19-10-13-21(14-11-19)30-17-18-6-2-1-3-7-18/h1-17H
InChIKey
YIHDTRDZDWAHOH-UHFFFAOYSA-N
Compound name
2-[4-(benzylideneamino)phenyl]-3-(2,4-dichlorophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.07486 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.08214 215.0
[M+Na]+ 492.06408 237.8
[M+NH4]+ 487.10868 224.3
[M+K]+ 508.03802 223.5
[M-H]- 468.06758 225.6
[M+Na-2H]- 490.04953 229.0
[M]+ 469.07431 222.4
[M]- 469.07541 222.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.